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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50197327   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50197327
PNG
(2'-({[3-(aminocarbonyl)phenyl]amino}carbonyl)-4-{[...)
Show SMILES CNc1ccc(c(c1)C(=O)Nc1cccc(c1)C(N)=O)-c1ccc(cc1C(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C29H30N4O7/c1-15(2)11-24(29(39)40)33-26(35)17-7-9-21(23(13-17)28(37)38)20-10-8-18(31-3)14-22(20)27(36)32-19-6-4-5-16(12-19)25(30)34/h4-10,12-15,24,31H,11H2,1-3H3,(H2,30,34)(H,32,36)(H,33,35)(H,37,38)(H,39,40)/t24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human thrombin by chromogenic assay


Bioorg Med Chem 15: 160-73 (2006)


Article DOI: 10.1016/j.bmc.2006.09.071
BindingDB Entry DOI: 10.7270/Q2MG7P56
More data for this
Ligand-Target Pair